SCHEMBL2269330

SCHEMBL2269330

CC(C)(c1ccc(F)cc1)N1CCN(c2ccc3nnc(C(F)F)n3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
HSD17B10 Q99714 4/20 0.48
AR P10275 2/20 0.44
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
APAF1 O14727 2/20 0.41
MAPT P10636 7/20 0.41
HPGD P15428 3/20 0.41
DPP4 P27487 1/20 0.41
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2263144 0.83 AR (0.64) PIM1HSD17B10ARKCNH2ALDH1A1
SCHEMBL12391851 0.82 HSD17B10 (0.48) PIM1HSD17B10ARKCNH2ALDH1A1
SCHEMBL2265755 0.79 HSD17B10 (0.49) PIM1HSD17B10ARKCNH2ALDH1A1
SCHEMBL2269653 0.73 ALOX15 (0.46) PIM1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL2266924 0.72 MAPT (0.50) PIM1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL2265535 0.72 DPP4 (0.48) ALDH1A1MAPTHPGDDPP4SMN1; SMN2
SCHEMBL2263083 0.71 AR (0.49) PIM1HSD17B10ARKCNH2ALDH1A1
SCHEMBL2265175 0.70 DPP4 (0.62) PIM1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL12368422 0.70 DPP4 (0.56) PIM1HSD17B10ARKCNH2ALDH1A1
SCHEMBL12368135 0.69 DPP4 (0.61) HSD17B10ARKCNH2KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 PIM1 4723/4885HSD17B10 178/4885AR 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.